1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

C16H16ClF2NO — CID 107513966

IUPAC1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1OC)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H16ClF2NO/c1-9-4-6-12(15(19)14(9)18)16(20-2)11-7-5-10(17)8-13(11)21-3/h4-8,16,20H,1-3H3
InChIKeyKLBLHGKPCYEWIB-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107513966) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107513966
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1OC)c1ccc(C)c(F)c1F
InChIInChI=1S/C16H16ClF2NO/c1-9-4-6-12(15(19)14(9)18)16(20-2)11-7-5-10(17)8-13(11)21-3/h4-8,16,20H,1-3H3
InChIKeyKLBLHGKPCYEWIB-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106791779
1-(4-chloro-2-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807492
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082
1-(2,3-difluoro-4-methylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 107513669
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871128
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (CID 107513966) is 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1OC)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is KLBLHGKPCYEWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-9-4-6-12(15(19)14(9)18)16(20-2)11-7-5-10(17)8-13(11)21-3/h4-8,16,20H,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107513966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).